SDPD-SX: combining a single crystal X-ray diffraction setup with advanced powder data structure determination for use in early stage drug discovery

Elena A. Kabova, Charles D. Blundell, Christopher A. Muryn, George F.S. Whitehead, Inigo J. Vitorica-Yrezabal, Marta J. Ross, Kenneth Shankland

Research output: Contribution to journalArticlepeer-review

Abstract

We report a method for routine crystal structure determination on very small (typically 0.1 mg or less) amounts of crystalline material using powder X-ray diffraction data from a laboratory-based single-crystal diffractometer. The solved structures span a wide range of molecular and crystallographic complexity.

Original languageEnglish
Pages (from-to)4337-4340
Number of pages4
JournalCrystEngComm
Volume24
Issue number24
Early online date24 May 2022
DOIs
Publication statusPublished - 24 May 2022

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